N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

C23H24N6O2 — CID 138585655

IUPACN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C23H24N6O2/c1-15-24-13-21(31-15)16-3-4-17-11-25-22(10-18(17)9-16)27-23(30)19-12-26-29(14-19)20-5-7-28(2)8-6-20/h3-4,9-14,20H,5-8H2,1-2H3,(H,25,27,30)
InChIKeyKLNMTBKNEZARIE-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 138585655) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID138585655
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C23H24N6O2/c1-15-24-13-21(31-15)16-3-4-17-11-25-22(10-18(17)9-16)27-23(30)19-12-26-29(14-19)20-5-7-28(2)8-6-20/h3-4,9-14,20H,5-8H2,1-2H3,(H,25,27,30)
InChIKeyKLNMTBKNEZARIE-UHFFFAOYSA-N
XLogP3.91
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 138585655) is N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1.
What is the InChIKey of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is KLNMTBKNEZARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-24-13-21(31-15)16-3-4-17-11-25-22(10-18(17)9-16)27-23(30)19-12-26-29(14-19)20-5-7-28(2)8-6-20/h3-4,9-14,20H,5-8H2,1-2H3,(H,25,27,30).
What are the key properties of N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138585655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).